N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide

C23H20FN3O2 — CID 134797483

IUPACN-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCc2ccc(F)cc2)nn2cccc12
InChIInChI=1S/C23H20FN3O2/c1-29-22-7-3-2-5-18(22)19-15-20(26-27-14-4-6-21(19)27)23(28)25-13-12-16-8-10-17(24)11-9-16/h2-11,14-15H,12-13H2,1H3,(H,25,28)
InChIKeyRWZYPGMFQYDPIJ-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.12
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide

N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide (PubChem CID 134797483) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide
PubChem CID134797483
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCc2ccc(F)cc2)nn2cccc12
InChIInChI=1S/C23H20FN3O2/c1-29-22-7-3-2-5-18(22)19-15-20(26-27-14-4-6-21(19)27)23(28)25-13-12-16-8-10-17(24)11-9-16/h2-11,14-15H,12-13H2,1H3,(H,25,28)
InChIKeyRWZYPGMFQYDPIJ-UHFFFAOYSA-N
XLogP4.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide (CID 134797483) is N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide is COc1ccccc1-c1cc(C(=O)NCCc2ccc(F)cc2)nn2cccc12.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is RWZYPGMFQYDPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-29-22-7-3-2-5-18(22)19-15-20(26-27-14-4-6-21(19)27)23(28)25-13-12-16-8-10-17(24)11-9-16/h2-11,14-15H,12-13H2,1H3,(H,25,28).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 134797483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).